4-carbamimidoyl-2-ethyl-3-[4-(4-fluorophenyl)carbonyl-1-methylsulfonyl-piperidin-1-ium-1-yl]-N-(2-methoxyphenyl)benzamide

Systemtic Name: 4-carbamimidoyl-2-ethyl-3-[4-(4-fluorophenyl)carbonyl-1-methylsulfonyl-piperidin-1-ium-1-yl]-N-(2-methoxyphenyl)benzamide Openeye Name: 4-carbamimidoyl-2-ethyl-3-[4-(4-fluorobenzoyl)-1-methylsulfonyl-piperidin-1-ium-1-yl]-N-(2-methoxyphenyl)benzamide CAS Name: 4-carbamimidoyl-2-ethyl-3-[4-[(4-fluorophenyl)-oxomethyl]-1-methylsulfonyl-1-piperidin-1-iumyl]-N-(2-methoxyphenyl)benzamide IUPAC Name: 4-carbamimidoyl-2-ethyl-3-[4-(4-fluorobenzoyl)-1-methylsulfonylpiperidin-1-ium-1-yl]-N-(2-methoxyphenyl)benzamide Traditional Name: 4-amidino-2-ethyl-3-[4-(4-fluorobenzoyl)-1-mesyl-piperidin-1-ium-1-yl]-N-(2-methoxyphenyl)benzamide Formula: C30H34FN4O5S+ MolecularWeight: 581.678163

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1[N+]2(CCC(CC2)C(=O)C3=CC=C(C=C3)F)S(=O)(=O)C)C(=N)N)C(=O)NC4=CC=CC=C4OC

Isomeric SMILES

CCC1=C(C=CC(=C1[N+]2(CCC(CC2)C(=O)C3=CC=C(C=C3)F)S(=O)(=O)C)C(=N)N)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C30H33FN4O5S/c1-4-22-23(30(37)34-25-7-5-6-8-26(25)40-2)13-14-24(29(32)33)27(22)35(41(3,38)39)17-15-20(16-18-35)28(36)19-9-11-21(31)12-10-19/h5-14,20H,4,15-18H2,1-3H3,(H3-,32,33,34,37)/p+1